5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran

C18H10Br2O2 — CID 70167024

IUPAC5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
SMILESBrc1ccc2oc(C=Cc3cc4cc(Br)ccc4o3)cc2c1
InChIInChI=1S/C18H10Br2O2/c19-13-1-5-17-11(7-13)9-15(21-17)3-4-16-10-12-8-14(20)2-6-18(12)22-16/h1-10H
InChIKeyVJMFIDKRCVWCAA-UHFFFAOYSA-N
MW418.08 g/mol
LogP6.87
Rot. Bonds2

About 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran

5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran (PubChem CID 70167024) has the molecular formula C18H10Br2O2 and a molecular weight of 418.08 g/mol. Its IUPAC name is 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
PubChem CID70167024
Molecular FormulaC18H10Br2O2
Molecular Weight418.08 g/mol
Exact Mass415.90
IUPAC Name5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
SMILESBrc1ccc2oc(C=Cc3cc4cc(Br)ccc4o3)cc2c1
InChIInChI=1S/C18H10Br2O2/c19-13-1-5-17-11(7-13)9-15(21-17)3-4-16-10-12-8-14(20)2-6-18(12)22-16/h1-10H
InChIKeyVJMFIDKRCVWCAA-UHFFFAOYSA-N
XLogP6.87
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.08
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(5-bromo-1-benzofuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 51370786
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-oxochromen-7-yl)prop-2-enamide
CID 51370939
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 51370941
6-bromo-3-methylchromen-2-one
CID 14956088
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
(E)-3-(5-bromo-1-benzofuran-2-yl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 51370775
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
CID 30121829
2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol
CID 67169332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran?
The IUPAC name of 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran (CID 70167024) is 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran.
What is the SMILES notation for 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran?
The canonical SMILES for 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran is Brc1ccc2oc(C=Cc3cc4cc(Br)ccc4o3)cc2c1.
What is the InChIKey of 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran?
The InChIKey is VJMFIDKRCVWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2O2/c19-13-1-5-17-11(7-13)9-15(21-17)3-4-16-10-12-8-14(20)2-6-18(12)22-16/h1-10H.
What are the key properties of 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran?
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran has a molecular weight of 418.08 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran is sourced from PubChem (CID 70167024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).